N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide

C14H20BrNO2S — CID 81129770

IUPACN-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C14H20BrNO2S/c1-18-12-7-10-19-13(12)14(17)16(9-8-15)11-5-3-2-4-6-11/h7,10-11H,2-6,8-9H2,1H3
InChIKeyGODJCGXVTDKNKT-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.93
Rot. Bonds5

About N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide

N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide (PubChem CID 81129770) has the molecular formula C14H20BrNO2S and a molecular weight of 346.29 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide
PubChem CID81129770
Molecular FormulaC14H20BrNO2S
Molecular Weight346.29 g/mol
Exact Mass345.04
IUPAC NameN-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(CCBr)C1CCCCC1
InChIInChI=1S/C14H20BrNO2S/c1-18-12-7-10-19-13(12)14(17)16(9-8-15)11-5-3-2-4-6-11/h7,10-11H,2-6,8-9H2,1H3
InChIKeyGODJCGXVTDKNKT-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-3-chloro-N-cyclohexylthiophene-2-carboxamide
CID 80659701
N-(2-cyanoethyl)-N-cyclopropyl-3-methoxythiophene-2-carboxamide
CID 78998920
N-(2-bromoethyl)-N-cyclopentyl-2,4-dimethoxybenzamide
CID 80652711
3-methoxy-N-propyl-N-pyrrolidin-3-ylthiophene-2-carboxamide
CID 81119139
N-(3-bromopropyl)-N-cyclobutyl-3-methylthiophene-2-carboxamide
CID 102872297
cyclooctyl-(3-methoxythiophen-2-yl)methanone
CID 81118417
N-(2-bromoethyl)-3-chloro-N-cyclohexyl-4-methylthiophene-2-carboxamide
CID 103405905
N-(2-bromoethyl)-N-cyclopropyl-2,5-dimethoxybenzamide
CID 80665946
3-bromo-N-cyclopentyl-N-(2-hydroxyethyl)thiophene-2-carboxamide
CID 63797804
N-cyclopentyl-N-(2-hydroxyethyl)-3-methylthiophene-2-carboxamide
CID 54994213
N-(2-bromoethyl)-N-cyclohexyl-2-ethoxybenzamide
CID 80652592
N-(2-bromoethyl)-2,5-dichloro-N-cyclopentylthiophene-3-carboxamide
CID 114021798

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide (CID 81129770) is N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)N(CCBr)C1CCCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide?
The InChIKey is GODJCGXVTDKNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2S/c1-18-12-7-10-19-13(12)14(17)16(9-8-15)11-5-3-2-4-6-11/h7,10-11H,2-6,8-9H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide?
N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide has a molecular weight of 346.29 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclohexyl-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 81129770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).